(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C30H26N2O4 MolecularWeight: 478.53844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C30H26N2O4/c1-19(2)24-16-25-22(15-28(33)36-27(25)14-20(24)3)18-35-30(34)26-17-32(23-12-8-5-9-13-23)31-29(26)21-10-6-4-7-11-21/h4-17,19H,18H2,1-3H3